CAS: 1639042-08-2; (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-yl)Phenyl)Acrylic Acid
- 英文名称(E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-yl)Phenyl)Acrylic Acid
- 中文名称(E)-3-[3,5-二氟-4-[(1R,3R)-2-(2-氟-2-甲基丙基)-3-甲基-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-1-基]苯基]丙烯酸
- IUPAC名称(E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic acid
- 其它别名(E)-3-[3,5-Difluoro-4-[(1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl]Phenyl]Acrylic Acid; 3-[3,5-Difluoro-4-[(1R,3R)-2-(2-Fluoro-2-Methylpropyl)-2,3,4,9-Tetrahydro-3-Methyl-1H-Pyrido[3,4-B]Indol-1-Yl]Phenyl]-2-Propenoic Acid; 2-Propenoic Acid, 3-[3,5-Difluoro-4-[(1R,3R)-2-(2-Fluoro-2-Methylpropyl)-2,3,4,9-Tetrahydro-3-Methyl-1H-Pyrido[3,4-B]Indol-1-Yl]Phenyl]-, (2E)-
- CAS编号1639042-08-2
- MFCD编号:MFCD28902195
- FDA UNII编号:DA9P7LN909
- 分子式:C25H25F3N2O2分子量:442.48
- 产品CID: 832752
- 同类组份化合物CAS1639042-08-2 (free base)1639042-28-6 (maleate)
- 产品分类生物化工 → 生化试剂 → 激动剂抑制剂
物理性质
MSDS等安全信息
合成工艺路线路线简述
📜(R)-Alpha-甲基色胺置于溶剂黄146,N,N-二异丙基乙胺,Sodium Hydroxide体系中,用 四氢呋喃,1,4-二氧六环,甲醇,水,甲苯 用作溶剂,化学反应 12.0H,反应生成(E)-3-[3,5-二氟-4-[(1R,3R)-2-(2-氟-2-甲基丙基)-3-甲基-2,3,4,9-四氢-1H-吡啶并[3,4-B]吲哚-1-基]苯基]丙烯酸
参考文献:(e)-3-(3,5-Difluoro-4-((1 R,3 R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2,3的新型结合基序的优化,4,9-四氢-1 H-吡啶并[3,4-B ]吲哚-1-基)苯基)丙烯酸(azd9496),有效且可口服的选择性雌激素受体下调剂和拮抗剂
标题:(e)-3-(3,5-Difluoro-4-((1 R,3 R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2,3的新型结合基序的优化,4,9-四氢-1 H-吡啶并[3,4-B ]吲哚-1-基)苯基)丙烯酸(azd9496),有效且可口服的选择性雌激素受体下调剂和拮抗剂
摘要:描述了具有与肌内serd氟维司群同等效力和临床前药理作用的口服生物利用型选择性雌激素受体下调剂(serd)的发现.定向筛选确定了1-芳基-2,3,4,9-四氢-1 H-吡啶并[3,4-B ]吲哚基序为新型的药物样er配体.借助于与er构建体结合的新型配体的晶体结构,药物化学迭代导致(e)-3-(3,5-Difluoro-4-((1 R,3 R)-2-(2-Fluoro-2-甲基丙基)-3-甲基-2,3,4,9-四氢-1 H-吡啶基[3,4-B ]吲哚-1-基)苯基)丙烯酸(30B(azd9496),这是一项临床前物种具有较高口服生物利用度的临床候选药物,目前正在治疗晚期雌激素受体(er)阳性的乳腺癌的i期临床试验中进行评估.
Doi:10.1021/acs.Jmedchem.5B00984
海关参考信息
- 2901210000-乙烯
2901220000-丙烯
2902300000-甲苯
2902500000-苯乙烯 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:CN-116287050-A
优先权日:2023-02-09
标 题 :Imine reductase, mutant and application thereof in synthesis of tetrahydro-beta-carboline derivatives
专利号:CN-113105329-B
优先权日:2021-04-22
标题 :A kind of synthesis method of (E)-methyl ester 3-(3,5-difluoro-4-formylphenyl)acrylic acid
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Ledvina AR, Dayton B, Hoffmann M, Steege T, Cape S, Holmes V, Li Y. Development and validation of bioanalytical methods to support investigations of AZD9496 in the clinic. Bioanalysis. 2020 Mar;12(5):305-317. doi: 10.4155/bio-2019-0244. Epub 2020 Mar 4. 14(1):61-71. doi: 10.7150/jca.79726.
3: Nardone A, Weir H, Delpuech O, Brown H, De Angelis C, Cataldo ML, Fu X, Shea MJ, Mitchell T, Veeraraghavan J, Nagi C, Pilling M, Rimawi MF, Trivedi M, Hilsenbeck SG, Chamness GC, Jeselsohn R, Osborne CK, Schiff R. The oral selective oestrogen receptor degrader (SERD) AZD9496 is comparable to fulvestrant in antagonising ER and circumventing endocrine resistance. Br J Cancer. 2019 Feb;120(3):331-339. doi: 10.1038/s41416-018-0354-9. Epub 2018 Dec 17.
4: Bapiro TE, Sykes A, Martin S, Davies M, Yates JWT, Hoch M, Rollison HE, Jones B. Complete Substrate Inhibition of Cytochrome P450 2C8 by AZD9496, an Oral Selective Estrogen Receptor Degrader. Drug Metab Dispos. 2018 Sep;46(9):1268-1276. doi: 10.1124/dmd.118.081539. Epub 2018 Jun 19. Erratum in: Drug Metab Dispos. 2019 Aug;47(8):883. doi: 10.1124/dmd.119.081539err. 76(11):3307-18. doi: 10.1158/0008- 472.CAN-15-2357. Epub 2016 Mar 28.
合成参考文献
参考文献:10.1016/j.bmcl.2020.127601
摘要:Dong J, Wang TL, Lu J, Ding CZ, Hu L, Hu G, He H, Zeng X, Li X, Sun D, Zhu Y, Shen L, Gu Q, Chan CC, Xia Y, Li J, Chen S. Design, syntheses and evaluations of novel indole derivatives as orally selective estrogen receptor degraders (SERD). Bioorg Med Chem Lett. 2020 Nov 15;30(22):127601. doi: 10.1016/j.bmcl.2020.127601.
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